SCHEMBL6941849

SCHEMBL6941849

N=C(N)c1ccc(NC(=O)c2ccc(C(=O)NCC(NS(=O)(=O)c3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 13/20 0.64
MMP9 P14780 2/20 0.58
ITGAV P06756 3/20 0.58
PLAU P00749 2/20 0.55
HPN P05981 2/20 0.55
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP13 P45452 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGB5 P18084 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6941856 1.00 ITGB3 (0.64) ITGB3ITGA2BMMP9ITGAVPLAU
SCHEMBL7752629 0.84 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7752361 0.84 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL27461966 0.84 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7665921 0.84 ITGB3 (0.60) ITGB3ITGA2BMMP9PLAUHPN
SCHEMBL8458591 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL8458584 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7674423 0.82 MMP9 (0.57) ITGB3ITGA2BMMP9PLAUHPN
SCHEMBL7398404 0.80 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7663345 0.79 ITGB3 (0.69) ITGB3ITGA2BMMP9ITGAVPLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957908-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-03-12 EP disclosed
EP-0957908-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-11-24 EP disclosed
WO-1998025601-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-06-18 WO disclosed